5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one

C16H18O5 — CID 71770174

IUPAC5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one
SMILESCOc1ccc(/C=C/C2(C)C=CC(=O)O2)c(OC)c1OC
InChIInChI=1S/C16H18O5/c1-16(10-8-13(17)21-16)9-7-11-5-6-12(18-2)15(20-4)14(11)19-3/h5-10H,1-4H3/b9-7+
InChIKeyRMEQYULWANVMOI-VQHVLOKHSA-N
MW290.32 g/mol
LogP2.60
Rot. Bonds5

About 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one

5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one (PubChem CID 71770174) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one.

Molecular Properties

Compound Name5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one
PubChem CID71770174
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one
SMILESCOc1ccc(/C=C/C2(C)C=CC(=O)O2)c(OC)c1OC
InChIInChI=1S/C16H18O5/c1-16(10-8-13(17)21-16)9-7-11-5-6-12(18-2)15(20-4)14(11)19-3/h5-10H,1-4H3/b9-7+
InChIKeyRMEQYULWANVMOI-VQHVLOKHSA-N
XLogP2.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one?
The IUPAC name of 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one (CID 71770174) is 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one.
What is the SMILES notation for 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one?
The canonical SMILES for 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one is COc1ccc(/C=C/C2(C)C=CC(=O)O2)c(OC)c1OC.
What is the InChIKey of 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one?
The InChIKey is RMEQYULWANVMOI-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H18O5/c1-16(10-8-13(17)21-16)9-7-11-5-6-12(18-2)15(20-4)14(11)19-3/h5-10H,1-4H3/b9-7+.
What are the key properties of 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one?
5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one has a molecular weight of 290.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]furan-2-one is sourced from PubChem (CID 71770174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).